SCHEMBL874501

SCHEMBL874501

CCCCn1c(=O)n(CCCCc2noc(C3CC=CN3C)n2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.40
ADORA2A P29274 5/20 0.40
ADORA2B P29275 4/20 0.40
ADORA3 P0DMS8 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL876303 0.84 ADORA1 (0.40) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL3114286 0.82 ADORA1 (0.48) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL3119933 0.81 ADORA1 (0.49) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL875339 0.81 ADORA1 (0.40) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL3111626 0.81 ADORA1 (0.49) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL13268091 0.80 ADORA1 (0.39) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL3114995 0.77 ADORA1 (0.44) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL838305 0.77 ADORA2B (0.52) ADORA1ADORA2AADORA2BADORA3
SCHEMBL837326 0.77 ADORA2B (0.55) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL834818 0.77 ADORA2B (0.45) ADORA1ADORA2AADORA2BADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 ADORA1 29/4885ADORA2A 16/4885ADORA2B 94/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.